1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine

C17H26BrN — CID 65020237

IUPAC1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine
SMILESCCCCC1CCC(N)(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H26BrN/c1-2-3-4-14-9-11-17(19,12-10-14)13-15-5-7-16(18)8-6-15/h5-8,14H,2-4,9-13,19H2,1H3
InChIKeyCOVDHVNEOHCODD-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.07
Rot. Bonds5

About 1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine

1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine (PubChem CID 65020237) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine
PubChem CID65020237
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine
SMILESCCCCC1CCC(N)(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H26BrN/c1-2-3-4-14-9-11-17(19,12-10-14)13-15-5-7-16(18)8-6-15/h5-8,14H,2-4,9-13,19H2,1H3
InChIKeyCOVDHVNEOHCODD-UHFFFAOYSA-N
XLogP5.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine
CID 65020287
4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine
CID 65020395
4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 65020505
4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 103017111
1-[(4-bromophenyl)methyl]cyclopentan-1-amine
CID 60798345
1-[(4-bromophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65424126
4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
CID 65020065
1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64513179
4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65318007
1-[(4-bromophenyl)methyl]cyclooctan-1-amine
CID 80603993
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 65086350
1-[[4-butyl-1-(chloromethyl)cyclohexyl]methyl]-4-ethylbenzene
CID 66034852

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine (CID 65020237) is 1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine is CCCCC1CCC(N)(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine?
The InChIKey is COVDHVNEOHCODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-2-3-4-14-9-11-17(19,12-10-14)13-15-5-7-16(18)8-6-15/h5-8,14H,2-4,9-13,19H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine?
1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine has a molecular weight of 324.31 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine is sourced from PubChem (CID 65020237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).